USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 38 SER OG : rot 100:sc= 0.23 USER MOD Set 1.2: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 GLN : amide:sc= -0.0451 X(o=-0.092,f=-0.27) USER MOD Set 2.2: A 27 ASN :FLIP amide:sc= -0.0466 X(o=-0.39,f=-0.092) USER MOD Single : A 1 SER N :NH3+ -122:sc= 0.282 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.093 USER MOD Single : A 2 HIS : no HD1:sc=-0.00839 X(o=-0.0084,f=-0.0084) USER MOD Single : A 3 MET CE :methyl 163:sc= -0.064 (180deg=-0.575) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.357 X(o=-0.36,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.0336 K(o=0.034,f=-0.51) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 70:sc= -0.671 USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -0.06 (180deg=-0.387) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc=-0.00707 (180deg=-0.0534) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.872 4.640 -3.528 1.00 0.00 N ATOM 2 CA SER A 1 6.194 3.864 -2.464 1.00 0.00 C ATOM 3 C SER A 1 5.973 2.424 -2.975 1.00 0.00 C ATOM 4 O SER A 1 6.675 1.985 -3.896 1.00 0.00 O ATOM 5 CB SER A 1 4.872 4.579 -2.079 1.00 0.00 C ATOM 6 OG SER A 1 4.291 4.040 -0.901 1.00 0.00 O ATOM 0 H1 SER A 1 7.769 5.019 -3.163 1.00 0.00 H new ATOM 0 H2 SER A 1 7.063 4.021 -4.341 1.00 0.00 H new ATOM 0 H3 SER A 1 6.261 5.426 -3.828 1.00 0.00 H new ATOM 0 HA SER A 1 6.800 3.805 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.066 5.642 -1.932 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.163 4.495 -2.902 1.00 0.00 H new ATOM 0 HG SER A 1 3.462 4.521 -0.695 1.00 0.00 H new ATOM 14 N HIS A 2 5.042 1.666 -2.362 1.00 0.00 N ATOM 15 CA HIS A 2 4.594 0.369 -2.918 1.00 0.00 C ATOM 16 C HIS A 2 3.844 0.625 -4.250 1.00 0.00 C ATOM 17 O HIS A 2 3.306 1.730 -4.443 1.00 0.00 O ATOM 18 CB HIS A 2 3.696 -0.373 -1.894 1.00 0.00 C ATOM 19 CG HIS A 2 3.305 -1.769 -2.307 1.00 0.00 C ATOM 20 ND1 HIS A 2 4.140 -2.858 -2.201 1.00 0.00 N ATOM 21 CD2 HIS A 2 2.154 -2.241 -2.853 1.00 0.00 C ATOM 22 CE1 HIS A 2 3.494 -3.926 -2.668 1.00 0.00 C ATOM 23 NE2 HIS A 2 2.286 -3.606 -3.080 1.00 0.00 N ATOM 0 H HIS A 2 4.587 1.926 -1.487 1.00 0.00 H new ATOM 0 HA HIS A 2 5.455 -0.269 -3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 2 4.219 -0.423 -0.939 1.00 0.00 H new ATOM 0 HB3 HIS A 2 2.791 0.212 -1.732 1.00 0.00 H new ATOM 0 HD2 HIS A 2 1.277 -1.651 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 2 3.908 -4.923 -2.704 1.00 0.00 H new ATOM 0 HE2 HIS A 2 1.589 -4.232 -3.484 1.00 0.00 H new ATOM 31 N MET A 3 3.845 -0.380 -5.167 1.00 0.00 N ATOM 32 CA MET A 3 3.264 -0.293 -6.546 1.00 0.00 C ATOM 33 C MET A 3 4.238 0.425 -7.504 1.00 0.00 C ATOM 34 O MET A 3 4.442 -0.024 -8.637 1.00 0.00 O ATOM 35 CB MET A 3 1.826 0.337 -6.569 1.00 0.00 C ATOM 36 CG MET A 3 1.151 0.509 -7.948 1.00 0.00 C ATOM 37 SD MET A 3 1.825 1.893 -8.904 1.00 0.00 S ATOM 38 CE MET A 3 0.648 1.993 -10.248 1.00 0.00 C ATOM 0 H MET A 3 4.256 -1.293 -4.970 1.00 0.00 H new ATOM 0 HA MET A 3 3.134 -1.314 -6.905 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.176 -0.282 -5.950 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.879 1.317 -6.095 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.269 -0.411 -8.520 1.00 0.00 H new ATOM 0 HG3 MET A 3 0.081 0.661 -7.805 1.00 0.00 H new ATOM 0 HE1 MET A 3 0.743 2.959 -10.743 1.00 0.00 H new ATOM 0 HE2 MET A 3 0.846 1.197 -10.965 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.363 1.884 -9.855 1.00 0.00 H new ATOM 48 N CYS A 4 4.873 1.514 -7.037 1.00 0.00 N ATOM 49 CA CYS A 4 5.905 2.242 -7.795 1.00 0.00 C ATOM 50 C CYS A 4 7.188 2.428 -6.945 1.00 0.00 C ATOM 51 O CYS A 4 7.438 3.517 -6.433 1.00 0.00 O ATOM 52 CB CYS A 4 5.317 3.578 -8.314 1.00 0.00 C ATOM 53 SG CYS A 4 4.409 3.365 -9.868 1.00 0.00 S ATOM 0 H CYS A 4 4.684 1.916 -6.119 1.00 0.00 H new ATOM 0 HA CYS A 4 6.207 1.659 -8.665 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.651 3.998 -7.560 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.124 4.296 -8.462 1.00 0.00 H new ATOM 58 N PRO A 5 8.003 1.332 -6.751 1.00 0.00 N ATOM 59 CA PRO A 5 9.207 1.353 -5.887 1.00 0.00 C ATOM 60 C PRO A 5 10.532 1.675 -6.624 1.00 0.00 C ATOM 61 O PRO A 5 11.494 2.118 -5.984 1.00 0.00 O ATOM 62 CB PRO A 5 9.200 -0.087 -5.329 1.00 0.00 C ATOM 63 CG PRO A 5 8.712 -0.930 -6.475 1.00 0.00 C ATOM 64 CD PRO A 5 7.789 -0.037 -7.307 1.00 0.00 C ATOM 0 HA PRO A 5 9.166 2.145 -5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.195 -0.393 -5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.543 -0.175 -4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.548 -1.291 -7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.178 -1.808 -6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.042 -0.080 -8.366 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.748 -0.346 -7.215 1.00 0.00 H new ATOM 72 N ALA A 6 10.586 1.432 -7.959 1.00 0.00 N ATOM 73 CA ALA A 6 11.798 1.668 -8.777 1.00 0.00 C ATOM 74 C ALA A 6 12.157 3.173 -8.785 1.00 0.00 C ATOM 75 O ALA A 6 11.261 4.019 -8.721 1.00 0.00 O ATOM 76 CB ALA A 6 11.591 1.129 -10.213 1.00 0.00 C ATOM 0 H ALA A 6 9.796 1.070 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 6 12.635 1.127 -8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.490 1.310 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.391 0.058 -10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.746 1.639 -10.675 1.00 0.00 H new ATOM 82 N VAL A 7 13.467 3.481 -8.871 1.00 0.00 N ATOM 83 CA VAL A 7 14.004 4.864 -8.760 1.00 0.00 C ATOM 84 C VAL A 7 13.360 5.835 -9.780 1.00 0.00 C ATOM 85 O VAL A 7 13.144 7.015 -9.484 1.00 0.00 O ATOM 86 CB VAL A 7 15.575 4.852 -8.896 1.00 0.00 C ATOM 87 CG1 VAL A 7 16.213 4.061 -7.725 1.00 0.00 C ATOM 88 CG2 VAL A 7 16.025 4.267 -10.265 1.00 0.00 C ATOM 0 H VAL A 7 14.191 2.778 -9.020 1.00 0.00 H new ATOM 0 HA VAL A 7 13.739 5.238 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 7 15.922 5.884 -8.850 1.00 0.00 H new ATOM 0 HG11 VAL A 7 17.298 4.062 -7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.942 4.530 -6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.848 3.034 -7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.113 4.274 -10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.663 3.243 -10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.614 4.873 -11.072 1.00 0.00 H new ATOM 98 N SER A 8 13.033 5.313 -10.968 1.00 0.00 N ATOM 99 CA SER A 8 12.218 6.010 -11.970 1.00 0.00 C ATOM 100 C SER A 8 11.062 5.076 -12.356 1.00 0.00 C ATOM 101 O SER A 8 11.256 4.118 -13.116 1.00 0.00 O ATOM 102 CB SER A 8 13.097 6.400 -13.180 1.00 0.00 C ATOM 103 OG SER A 8 14.190 7.206 -12.764 1.00 0.00 O ATOM 0 H SER A 8 13.331 4.383 -11.264 1.00 0.00 H new ATOM 0 HA SER A 8 11.803 6.938 -11.577 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.468 5.501 -13.672 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.498 6.940 -13.913 1.00 0.00 H new ATOM 0 HG SER A 8 14.737 7.442 -13.542 1.00 0.00 H new ATOM 109 N CYS A 9 9.870 5.323 -11.777 1.00 0.00 N ATOM 110 CA CYS A 9 8.759 4.354 -11.828 1.00 0.00 C ATOM 111 C CYS A 9 7.403 5.045 -11.983 1.00 0.00 C ATOM 112 O CYS A 9 6.406 4.467 -11.577 1.00 0.00 O ATOM 113 CB CYS A 9 8.798 3.470 -10.548 1.00 0.00 C ATOM 114 SG CYS A 9 7.842 1.919 -10.621 1.00 0.00 S ATOM 0 H CYS A 9 9.653 6.182 -11.271 1.00 0.00 H new ATOM 0 HA CYS A 9 8.885 3.724 -12.709 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.838 3.223 -10.332 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.430 4.062 -9.710 1.00 0.00 H new ATOM 119 N LEU A 10 7.403 6.272 -12.572 1.00 0.00 N ATOM 120 CA LEU A 10 6.206 7.013 -13.113 1.00 0.00 C ATOM 121 C LEU A 10 5.053 7.327 -12.092 1.00 0.00 C ATOM 122 O LEU A 10 4.761 8.501 -11.841 1.00 0.00 O ATOM 123 CB LEU A 10 5.609 6.288 -14.371 1.00 0.00 C ATOM 124 CG LEU A 10 6.557 6.090 -15.607 1.00 0.00 C ATOM 125 CD1 LEU A 10 5.760 5.668 -16.863 1.00 0.00 C ATOM 126 CD2 LEU A 10 7.422 7.342 -15.886 1.00 0.00 C ATOM 0 H LEU A 10 8.266 6.802 -12.693 1.00 0.00 H new ATOM 0 HA LEU A 10 6.619 7.986 -13.380 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.254 5.306 -14.057 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.737 6.851 -14.702 1.00 0.00 H new ATOM 0 HG LEU A 10 7.242 5.280 -15.356 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.444 5.539 -17.702 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.244 4.728 -16.668 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.029 6.439 -17.106 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.061 7.158 -16.749 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.774 8.194 -16.090 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.042 7.558 -15.015 1.00 0.00 H new ATOM 138 N GLN A 11 4.403 6.258 -11.586 1.00 0.00 N ATOM 139 CA GLN A 11 3.152 6.253 -10.796 1.00 0.00 C ATOM 140 C GLN A 11 1.915 6.323 -11.728 1.00 0.00 C ATOM 141 O GLN A 11 1.112 7.256 -11.624 1.00 0.00 O ATOM 142 CB GLN A 11 3.097 7.324 -9.651 1.00 0.00 C ATOM 143 CG GLN A 11 4.120 7.105 -8.509 1.00 0.00 C ATOM 144 CD GLN A 11 4.037 8.134 -7.369 1.00 0.00 C ATOM 145 OE1 GLN A 11 4.291 7.812 -6.205 1.00 0.00 O ATOM 146 NE2 GLN A 11 3.715 9.382 -7.686 1.00 0.00 N ATOM 0 H GLN A 11 4.761 5.313 -11.727 1.00 0.00 H new ATOM 0 HA GLN A 11 3.136 5.300 -10.268 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.264 8.309 -10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.094 7.329 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.972 6.108 -8.093 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.125 7.129 -8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.509 9.625 -8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.674 10.098 -6.961 1.00 0.00 H new ATOM 155 N PRO A 12 1.732 5.318 -12.664 1.00 0.00 N ATOM 156 CA PRO A 12 0.569 5.250 -13.548 1.00 0.00 C ATOM 157 C PRO A 12 -0.530 4.360 -12.942 1.00 0.00 C ATOM 158 O PRO A 12 -0.493 3.125 -13.061 1.00 0.00 O ATOM 159 CB PRO A 12 1.157 4.650 -14.850 1.00 0.00 C ATOM 160 CG PRO A 12 2.455 3.969 -14.448 1.00 0.00 C ATOM 161 CD PRO A 12 2.619 4.164 -12.948 1.00 0.00 C ATOM 0 HA PRO A 12 0.087 6.213 -13.714 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.465 3.937 -15.298 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.338 5.428 -15.591 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.426 2.908 -14.697 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.299 4.400 -14.987 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.319 3.277 -12.390 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.654 4.374 -12.679 1.00 0.00 H new ATOM 169 N GLU A 13 -1.483 5.005 -12.271 1.00 0.00 N ATOM 170 CA GLU A 13 -2.600 4.322 -11.601 1.00 0.00 C ATOM 171 C GLU A 13 -3.616 3.851 -12.653 1.00 0.00 C ATOM 172 O GLU A 13 -4.582 4.546 -12.978 1.00 0.00 O ATOM 173 CB GLU A 13 -3.254 5.239 -10.536 1.00 0.00 C ATOM 174 CG GLU A 13 -2.308 5.650 -9.388 1.00 0.00 C ATOM 175 CD GLU A 13 -3.010 6.473 -8.293 1.00 0.00 C ATOM 176 OE1 GLU A 13 -3.766 5.885 -7.488 1.00 0.00 O ATOM 177 OE2 GLU A 13 -2.808 7.701 -8.221 1.00 0.00 O ATOM 0 H GLU A 13 -1.507 6.020 -12.174 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.222 3.447 -11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.625 6.139 -11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.119 4.727 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.878 4.754 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.481 6.231 -9.797 1.00 0.00 H new ATOM 184 N GLY A 14 -3.326 2.681 -13.220 1.00 0.00 N ATOM 185 CA GLY A 14 -4.124 2.089 -14.277 1.00 0.00 C ATOM 186 C GLY A 14 -3.800 0.623 -14.429 1.00 0.00 C ATOM 187 O GLY A 14 -2.640 0.270 -14.656 1.00 0.00 O ATOM 0 H GLY A 14 -2.520 2.116 -12.951 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.184 2.211 -14.052 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.935 2.608 -15.217 1.00 0.00 H new ATOM 191 N ASP A 15 -4.827 -0.234 -14.294 1.00 0.00 N ATOM 192 CA ASP A 15 -4.683 -1.709 -14.335 1.00 0.00 C ATOM 193 C ASP A 15 -4.228 -2.203 -15.715 1.00 0.00 C ATOM 194 O ASP A 15 -3.692 -3.305 -15.839 1.00 0.00 O ATOM 195 CB ASP A 15 -6.020 -2.395 -13.944 1.00 0.00 C ATOM 196 CG ASP A 15 -6.513 -1.982 -12.550 1.00 0.00 C ATOM 197 OD1 ASP A 15 -6.006 -2.524 -11.539 1.00 0.00 O ATOM 198 OD2 ASP A 15 -7.377 -1.079 -12.454 1.00 0.00 O ATOM 0 H ASP A 15 -5.789 0.074 -14.152 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.912 -1.978 -13.613 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.781 -2.145 -14.683 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.891 -3.477 -13.973 1.00 0.00 H new ATOM 203 N GLU A 16 -4.423 -1.358 -16.736 1.00 0.00 N ATOM 204 CA GLU A 16 -4.165 -1.700 -18.144 1.00 0.00 C ATOM 205 C GLU A 16 -2.658 -1.670 -18.485 1.00 0.00 C ATOM 206 O GLU A 16 -2.283 -1.891 -19.642 1.00 0.00 O ATOM 207 CB GLU A 16 -4.958 -0.715 -19.057 1.00 0.00 C ATOM 208 CG GLU A 16 -6.435 -0.488 -18.655 1.00 0.00 C ATOM 209 CD GLU A 16 -7.249 -1.781 -18.490 1.00 0.00 C ATOM 210 OE1 GLU A 16 -7.684 -2.352 -19.509 1.00 0.00 O ATOM 211 OE2 GLU A 16 -7.454 -2.235 -17.338 1.00 0.00 O ATOM 0 H GLU A 16 -4.768 -0.407 -16.608 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.502 -2.722 -18.318 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.446 0.247 -19.057 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.930 -1.091 -20.080 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.463 0.068 -17.718 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.914 0.135 -19.410 1.00 0.00 H new ATOM 218 N VAL A 17 -1.794 -1.379 -17.487 1.00 0.00 N ATOM 219 CA VAL A 17 -0.332 -1.423 -17.671 1.00 0.00 C ATOM 220 C VAL A 17 0.173 -2.880 -17.600 1.00 0.00 C ATOM 221 O VAL A 17 -0.290 -3.677 -16.771 1.00 0.00 O ATOM 222 CB VAL A 17 0.435 -0.510 -16.635 1.00 0.00 C ATOM 223 CG1 VAL A 17 -0.063 0.953 -16.720 1.00 0.00 C ATOM 224 CG2 VAL A 17 0.343 -1.043 -15.183 1.00 0.00 C ATOM 0 H VAL A 17 -2.087 -1.112 -16.547 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.118 -1.021 -18.661 1.00 0.00 H new ATOM 0 HB VAL A 17 1.489 -0.538 -16.910 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.479 1.564 -15.998 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.111 1.339 -17.725 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.129 0.988 -16.497 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.888 -0.376 -14.515 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.702 -1.088 -14.877 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.778 -2.041 -15.133 1.00 0.00 H new ATOM 234 N ASP A 18 1.088 -3.214 -18.515 1.00 0.00 N ATOM 235 CA ASP A 18 1.698 -4.554 -18.642 1.00 0.00 C ATOM 236 C ASP A 18 3.032 -4.606 -17.869 1.00 0.00 C ATOM 237 O ASP A 18 3.723 -3.585 -17.743 1.00 0.00 O ATOM 238 CB ASP A 18 1.893 -4.912 -20.148 1.00 0.00 C ATOM 239 CG ASP A 18 2.522 -3.776 -20.982 1.00 0.00 C ATOM 240 OD1 ASP A 18 1.789 -2.843 -21.378 1.00 0.00 O ATOM 241 OD2 ASP A 18 3.735 -3.806 -21.248 1.00 0.00 O ATOM 0 H ASP A 18 1.437 -2.550 -19.206 1.00 0.00 H new ATOM 0 HA ASP A 18 1.031 -5.298 -18.205 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.525 -5.797 -20.223 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.926 -5.173 -20.578 1.00 0.00 H new ATOM 246 N TRP A 19 3.382 -5.804 -17.344 1.00 0.00 N ATOM 247 CA TRP A 19 4.528 -5.996 -16.416 1.00 0.00 C ATOM 248 C TRP A 19 5.576 -6.955 -17.008 1.00 0.00 C ATOM 249 O TRP A 19 5.285 -7.726 -17.929 1.00 0.00 O ATOM 250 CB TRP A 19 4.044 -6.566 -15.039 1.00 0.00 C ATOM 251 CG TRP A 19 2.691 -6.067 -14.567 1.00 0.00 C ATOM 252 CD1 TRP A 19 2.287 -4.771 -14.392 1.00 0.00 C ATOM 253 CD2 TRP A 19 1.573 -6.884 -14.191 1.00 0.00 C ATOM 254 NE1 TRP A 19 0.987 -4.740 -13.953 1.00 0.00 N ATOM 255 CE2 TRP A 19 0.531 -6.025 -13.819 1.00 0.00 C ATOM 256 CE3 TRP A 19 1.364 -8.266 -14.140 1.00 0.00 C ATOM 257 CZ2 TRP A 19 -0.713 -6.497 -13.403 1.00 0.00 C ATOM 258 CZ3 TRP A 19 0.134 -8.738 -13.729 1.00 0.00 C ATOM 259 CH2 TRP A 19 -0.892 -7.856 -13.362 1.00 0.00 C ATOM 0 H TRP A 19 2.879 -6.667 -17.551 1.00 0.00 H new ATOM 0 HA TRP A 19 4.983 -5.017 -16.268 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.007 -7.653 -15.108 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.788 -6.319 -14.281 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.901 -3.901 -14.573 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.448 -3.897 -13.758 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.151 -8.952 -14.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.505 -5.818 -13.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.041 -9.803 -13.689 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -1.843 -8.255 -13.040 1.00 0.00 H new ATOM 270 N VAL A 20 6.791 -6.887 -16.448 1.00 0.00 N ATOM 271 CA VAL A 20 7.892 -7.825 -16.720 1.00 0.00 C ATOM 272 C VAL A 20 8.561 -8.183 -15.383 1.00 0.00 C ATOM 273 O VAL A 20 8.763 -7.313 -14.526 1.00 0.00 O ATOM 274 CB VAL A 20 8.954 -7.232 -17.736 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.559 -5.884 -17.247 1.00 0.00 C ATOM 276 CG2 VAL A 20 10.071 -8.259 -18.066 1.00 0.00 C ATOM 0 H VAL A 20 7.043 -6.161 -15.777 1.00 0.00 H new ATOM 0 HA VAL A 20 7.483 -8.717 -17.194 1.00 0.00 H new ATOM 0 HB VAL A 20 8.411 -7.022 -18.657 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.280 -5.522 -17.980 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.762 -5.150 -17.128 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.059 -6.035 -16.290 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.779 -7.814 -18.765 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.592 -8.537 -17.150 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.627 -9.148 -18.515 1.00 0.00 H new ATOM 286 N GLN A 21 8.864 -9.470 -15.196 1.00 0.00 N ATOM 287 CA GLN A 21 9.552 -9.968 -14.003 1.00 0.00 C ATOM 288 C GLN A 21 11.051 -9.625 -14.092 1.00 0.00 C ATOM 289 O GLN A 21 11.586 -9.467 -15.188 1.00 0.00 O ATOM 290 CB GLN A 21 9.322 -11.489 -13.848 1.00 0.00 C ATOM 291 CG GLN A 21 9.859 -12.094 -12.537 1.00 0.00 C ATOM 292 CD GLN A 21 9.504 -13.570 -12.363 1.00 0.00 C ATOM 293 OE1 GLN A 21 9.394 -14.323 -13.331 1.00 0.00 O ATOM 294 NE2 GLN A 21 9.308 -13.993 -11.127 1.00 0.00 N ATOM 0 H GLN A 21 8.638 -10.200 -15.872 1.00 0.00 H new ATOM 0 HA GLN A 21 9.144 -9.484 -13.115 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.252 -11.689 -13.912 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.793 -12.001 -14.687 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.943 -11.983 -12.511 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.460 -11.530 -11.694 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.406 -13.346 -10.345 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.058 -14.967 -10.955 1.00 0.00 H new ATOM 303 N CYS A 22 11.712 -9.470 -12.936 1.00 0.00 N ATOM 304 CA CYS A 22 13.133 -9.088 -12.884 1.00 0.00 C ATOM 305 C CYS A 22 14.091 -10.244 -13.225 1.00 0.00 C ATOM 306 O CYS A 22 15.254 -9.982 -13.564 1.00 0.00 O ATOM 307 CB CYS A 22 13.509 -8.511 -11.511 1.00 0.00 C ATOM 308 SG CYS A 22 15.253 -8.004 -11.421 1.00 0.00 S ATOM 0 H CYS A 22 11.284 -9.604 -12.020 1.00 0.00 H new ATOM 0 HA CYS A 22 13.251 -8.323 -13.652 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.873 -7.652 -11.295 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.311 -9.256 -10.741 1.00 0.00 H new ATOM 313 N ASP A 23 13.597 -11.500 -13.086 1.00 0.00 N ATOM 314 CA ASP A 23 14.371 -12.756 -13.303 1.00 0.00 C ATOM 315 C ASP A 23 15.328 -13.067 -12.126 1.00 0.00 C ATOM 316 O ASP A 23 15.356 -14.209 -11.636 1.00 0.00 O ATOM 317 CB ASP A 23 15.130 -12.766 -14.667 1.00 0.00 C ATOM 318 CG ASP A 23 15.910 -14.067 -14.936 1.00 0.00 C ATOM 319 OD1 ASP A 23 15.279 -15.072 -15.305 1.00 0.00 O ATOM 320 OD2 ASP A 23 17.159 -14.088 -14.779 1.00 0.00 O ATOM 0 H ASP A 23 12.630 -11.675 -12.814 1.00 0.00 H new ATOM 0 HA ASP A 23 13.633 -13.557 -13.343 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.412 -12.611 -15.472 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.824 -11.926 -14.692 1.00 0.00 H new ATOM 325 N GLY A 24 16.115 -12.057 -11.694 1.00 0.00 N ATOM 326 CA GLY A 24 17.058 -12.196 -10.570 1.00 0.00 C ATOM 327 C GLY A 24 16.430 -12.637 -9.238 1.00 0.00 C ATOM 328 O GLY A 24 15.212 -12.780 -9.137 1.00 0.00 O ATOM 0 H GLY A 24 16.112 -11.128 -12.115 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.825 -12.918 -10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.560 -11.240 -10.418 1.00 0.00 H new ATOM 332 N SER A 25 17.274 -12.797 -8.196 1.00 0.00 N ATOM 333 CA SER A 25 16.883 -13.450 -6.915 1.00 0.00 C ATOM 334 C SER A 25 15.813 -12.644 -6.144 1.00 0.00 C ATOM 335 O SER A 25 15.083 -13.205 -5.326 1.00 0.00 O ATOM 336 CB SER A 25 18.131 -13.671 -6.026 1.00 0.00 C ATOM 337 OG SER A 25 19.148 -14.363 -6.733 1.00 0.00 O ATOM 0 H SER A 25 18.244 -12.480 -8.213 1.00 0.00 H new ATOM 0 HA SER A 25 16.439 -14.413 -7.167 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.512 -12.709 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.852 -14.237 -5.137 1.00 0.00 H new ATOM 0 HG SER A 25 19.925 -14.488 -6.149 1.00 0.00 H new ATOM 343 N CYS A 26 15.742 -11.325 -6.410 1.00 0.00 N ATOM 344 CA CYS A 26 14.698 -10.440 -5.840 1.00 0.00 C ATOM 345 C CYS A 26 13.311 -10.818 -6.415 1.00 0.00 C ATOM 346 O CYS A 26 12.291 -10.705 -5.731 1.00 0.00 O ATOM 347 CB CYS A 26 15.036 -8.952 -6.126 1.00 0.00 C ATOM 348 SG CYS A 26 14.508 -8.348 -7.761 1.00 0.00 S ATOM 0 H CYS A 26 16.400 -10.842 -7.021 1.00 0.00 H new ATOM 0 HA CYS A 26 14.668 -10.575 -4.759 1.00 0.00 H new ATOM 0 HB2 CYS A 26 14.570 -8.334 -5.358 1.00 0.00 H new ATOM 0 HB3 CYS A 26 16.113 -8.815 -6.034 1.00 0.00 H new ATOM 353 N ASN A 27 13.310 -11.248 -7.709 1.00 0.00 N ATOM 354 CA ASN A 27 12.163 -11.921 -8.390 1.00 0.00 C ATOM 355 C ASN A 27 10.913 -11.002 -8.556 1.00 0.00 C ATOM 356 O ASN A 27 9.831 -11.461 -8.940 1.00 0.00 O ATOM 357 CB ASN A 27 11.841 -13.255 -7.633 1.00 0.00 C ATOM 358 CG ASN A 27 10.994 -14.251 -8.428 1.00 0.00 C ATOM 359 OD1 ASN A 27 9.681 -14.223 -8.238 1.00 0.00 O flip ATOM 360 ND2 ASN A 27 11.522 -15.051 -9.203 1.00 0.00 N flip ATOM 0 H ASN A 27 14.120 -11.135 -8.319 1.00 0.00 H new ATOM 0 HA ASN A 27 12.457 -12.153 -9.414 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.779 -13.736 -7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.321 -13.015 -6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.534 -15.048 -9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.947 -15.716 -9.720 1.00 0.00 H new ATOM 367 N GLN A 28 11.109 -9.690 -8.322 1.00 0.00 N ATOM 368 CA GLN A 28 10.036 -8.668 -8.344 1.00 0.00 C ATOM 369 C GLN A 28 9.561 -8.357 -9.779 1.00 0.00 C ATOM 370 O GLN A 28 10.367 -8.305 -10.710 1.00 0.00 O ATOM 371 CB GLN A 28 10.553 -7.365 -7.672 1.00 0.00 C ATOM 372 CG GLN A 28 10.890 -7.496 -6.175 1.00 0.00 C ATOM 373 CD GLN A 28 9.673 -7.719 -5.262 1.00 0.00 C ATOM 374 OE1 GLN A 28 8.537 -7.095 -5.576 1.00 0.00 O flip ATOM 375 NE2 GLN A 28 9.769 -8.414 -4.248 1.00 0.00 N flip ATOM 0 H GLN A 28 12.028 -9.302 -8.109 1.00 0.00 H new ATOM 0 HA GLN A 28 9.183 -9.067 -7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.444 -7.029 -8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.799 -6.587 -7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.583 -8.327 -6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.409 -6.593 -5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.650 -8.881 -4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.968 -8.522 -3.626 1.00 0.00 H new ATOM 384 N TRP A 29 8.241 -8.147 -9.923 1.00 0.00 N ATOM 385 CA TRP A 29 7.602 -7.744 -11.188 1.00 0.00 C ATOM 386 C TRP A 29 7.503 -6.211 -11.250 1.00 0.00 C ATOM 387 O TRP A 29 6.863 -5.588 -10.395 1.00 0.00 O ATOM 388 CB TRP A 29 6.187 -8.380 -11.308 1.00 0.00 C ATOM 389 CG TRP A 29 6.193 -9.875 -11.544 1.00 0.00 C ATOM 390 CD1 TRP A 29 6.774 -10.834 -10.763 1.00 0.00 C ATOM 391 CD2 TRP A 29 5.569 -10.577 -12.634 1.00 0.00 C ATOM 392 NE1 TRP A 29 6.570 -12.076 -11.308 1.00 0.00 N ATOM 393 CE2 TRP A 29 5.829 -11.946 -12.452 1.00 0.00 C ATOM 394 CE3 TRP A 29 4.817 -10.174 -13.745 1.00 0.00 C ATOM 395 CZ2 TRP A 29 5.376 -12.917 -13.338 1.00 0.00 C ATOM 396 CZ3 TRP A 29 4.362 -11.137 -14.623 1.00 0.00 C ATOM 397 CH2 TRP A 29 4.645 -12.494 -14.416 1.00 0.00 C ATOM 0 H TRP A 29 7.579 -8.254 -9.154 1.00 0.00 H new ATOM 0 HA TRP A 29 8.209 -8.098 -12.021 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.629 -8.170 -10.395 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.653 -7.897 -12.126 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.316 -10.642 -9.849 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.915 -12.955 -10.923 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.597 -9.130 -13.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.592 -13.964 -13.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.779 -10.840 -15.482 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.278 -13.223 -15.123 1.00 0.00 H new ATOM 408 N PHE A 30 8.167 -5.618 -12.247 1.00 0.00 N ATOM 409 CA PHE A 30 8.115 -4.176 -12.526 1.00 0.00 C ATOM 410 C PHE A 30 7.363 -3.943 -13.842 1.00 0.00 C ATOM 411 O PHE A 30 7.690 -4.562 -14.854 1.00 0.00 O ATOM 412 CB PHE A 30 9.547 -3.592 -12.614 1.00 0.00 C ATOM 413 CG PHE A 30 10.338 -3.676 -11.313 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.261 -2.659 -10.359 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.162 -4.770 -11.046 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.986 -2.731 -9.182 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.885 -4.842 -9.868 1.00 0.00 C ATOM 418 CZ PHE A 30 11.797 -3.825 -8.937 1.00 0.00 C ATOM 0 H PHE A 30 8.765 -6.132 -12.894 1.00 0.00 H new ATOM 0 HA PHE A 30 7.590 -3.670 -11.715 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.095 -4.120 -13.394 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.483 -2.548 -12.920 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.627 -1.804 -10.542 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.236 -5.570 -11.767 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.919 -1.934 -8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.519 -5.695 -9.676 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.361 -3.884 -8.018 1.00 0.00 H new ATOM 428 N HIS A 31 6.333 -3.072 -13.802 1.00 0.00 N ATOM 429 CA HIS A 31 5.570 -2.654 -15.004 1.00 0.00 C ATOM 430 C HIS A 31 6.503 -2.131 -16.114 1.00 0.00 C ATOM 431 O HIS A 31 7.260 -1.179 -15.896 1.00 0.00 O ATOM 432 CB HIS A 31 4.443 -1.586 -14.720 1.00 0.00 C ATOM 433 CG HIS A 31 4.381 -0.989 -13.349 1.00 0.00 C ATOM 434 ND1 HIS A 31 3.216 -0.630 -12.728 1.00 0.00 N ATOM 435 CD2 HIS A 31 5.360 -0.469 -12.611 1.00 0.00 C ATOM 436 CE1 HIS A 31 3.540 0.116 -11.675 1.00 0.00 C ATOM 437 NE2 HIS A 31 4.853 0.278 -11.575 1.00 0.00 N ATOM 0 H HIS A 31 6.005 -2.638 -12.939 1.00 0.00 H new ATOM 0 HA HIS A 31 5.068 -3.562 -15.338 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.564 -0.772 -15.435 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.480 -2.052 -14.927 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.273 -0.887 -13.019 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.413 -0.615 -12.801 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.823 0.538 -10.987 1.00 0.00 H new ATOM 445 N GLN A 32 6.392 -2.760 -17.295 1.00 0.00 N ATOM 446 CA GLN A 32 7.166 -2.442 -18.504 1.00 0.00 C ATOM 447 C GLN A 32 7.098 -0.948 -18.878 1.00 0.00 C ATOM 448 O GLN A 32 8.135 -0.322 -19.131 1.00 0.00 O ATOM 449 CB GLN A 32 6.643 -3.308 -19.677 1.00 0.00 C ATOM 450 CG GLN A 32 7.034 -4.786 -19.615 1.00 0.00 C ATOM 451 CD GLN A 32 6.402 -5.637 -20.718 1.00 0.00 C ATOM 452 OE1 GLN A 32 6.933 -5.740 -21.821 1.00 0.00 O ATOM 453 NE2 GLN A 32 5.267 -6.256 -20.429 1.00 0.00 N ATOM 0 H GLN A 32 5.739 -3.530 -17.438 1.00 0.00 H new ATOM 0 HA GLN A 32 8.213 -2.665 -18.299 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.556 -3.236 -19.705 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.014 -2.889 -20.612 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.119 -4.869 -19.681 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.742 -5.189 -18.645 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.850 -6.151 -19.504 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.810 -6.837 -21.131 1.00 0.00 H new ATOM 462 N VAL A 33 5.868 -0.386 -18.874 1.00 0.00 N ATOM 463 CA VAL A 33 5.622 1.034 -19.228 1.00 0.00 C ATOM 464 C VAL A 33 6.423 1.980 -18.306 1.00 0.00 C ATOM 465 O VAL A 33 6.946 3.010 -18.735 1.00 0.00 O ATOM 466 CB VAL A 33 4.081 1.407 -19.153 1.00 0.00 C ATOM 467 CG1 VAL A 33 3.219 0.395 -19.948 1.00 0.00 C ATOM 468 CG2 VAL A 33 3.563 1.542 -17.687 1.00 0.00 C ATOM 0 H VAL A 33 5.022 -0.899 -18.627 1.00 0.00 H new ATOM 0 HA VAL A 33 5.956 1.162 -20.258 1.00 0.00 H new ATOM 0 HB VAL A 33 3.980 2.388 -19.617 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.169 0.677 -19.878 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.526 0.398 -20.994 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.355 -0.604 -19.533 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.504 1.798 -17.698 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.703 0.596 -17.163 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.121 2.326 -17.175 1.00 0.00 H new ATOM 478 N CYS A 34 6.527 1.573 -17.030 1.00 0.00 N ATOM 479 CA CYS A 34 7.153 2.368 -15.965 1.00 0.00 C ATOM 480 C CYS A 34 8.683 2.374 -16.080 1.00 0.00 C ATOM 481 O CYS A 34 9.332 3.394 -15.823 1.00 0.00 O ATOM 482 CB CYS A 34 6.716 1.804 -14.600 1.00 0.00 C ATOM 483 SG CYS A 34 5.690 2.886 -13.578 1.00 0.00 S ATOM 0 H CYS A 34 6.174 0.672 -16.707 1.00 0.00 H new ATOM 0 HA CYS A 34 6.824 3.402 -16.064 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.170 0.877 -14.772 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.611 1.546 -14.034 1.00 0.00 H new ATOM 488 N VAL A 35 9.243 1.212 -16.438 1.00 0.00 N ATOM 489 CA VAL A 35 10.700 0.986 -16.455 1.00 0.00 C ATOM 490 C VAL A 35 11.272 1.081 -17.885 1.00 0.00 C ATOM 491 O VAL A 35 12.450 0.781 -18.111 1.00 0.00 O ATOM 492 CB VAL A 35 11.039 -0.399 -15.788 1.00 0.00 C ATOM 493 CG1 VAL A 35 10.591 -0.416 -14.303 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.414 -1.584 -16.564 1.00 0.00 C ATOM 0 H VAL A 35 8.700 0.398 -16.725 1.00 0.00 H new ATOM 0 HA VAL A 35 11.177 1.774 -15.872 1.00 0.00 H new ATOM 0 HB VAL A 35 12.121 -0.522 -15.827 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.834 -1.382 -13.861 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.108 0.373 -13.758 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.515 -0.251 -14.246 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.673 -2.520 -16.069 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.330 -1.473 -16.586 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.798 -1.594 -17.584 1.00 0.00 H new ATOM 504 N GLY A 36 10.413 1.481 -18.847 1.00 0.00 N ATOM 505 CA GLY A 36 10.835 1.772 -20.225 1.00 0.00 C ATOM 506 C GLY A 36 11.045 0.541 -21.101 1.00 0.00 C ATOM 507 O GLY A 36 11.442 0.665 -22.265 1.00 0.00 O ATOM 0 H GLY A 36 9.414 1.609 -18.687 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.086 2.410 -20.693 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.764 2.341 -20.193 1.00 0.00 H new ATOM 511 N VAL A 37 10.764 -0.645 -20.553 1.00 0.00 N ATOM 512 CA VAL A 37 10.901 -1.913 -21.278 1.00 0.00 C ATOM 513 C VAL A 37 9.673 -2.114 -22.194 1.00 0.00 C ATOM 514 O VAL A 37 8.537 -2.006 -21.746 1.00 0.00 O ATOM 515 CB VAL A 37 11.064 -3.113 -20.279 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.154 -4.462 -21.022 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.300 -2.912 -19.370 1.00 0.00 C ATOM 0 H VAL A 37 10.435 -0.754 -19.594 1.00 0.00 H new ATOM 0 HA VAL A 37 11.800 -1.878 -21.894 1.00 0.00 H new ATOM 0 HB VAL A 37 10.173 -3.136 -19.652 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.266 -5.269 -20.298 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.245 -4.619 -21.603 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.015 -4.452 -21.691 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.391 -3.757 -18.687 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.197 -2.845 -19.985 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.184 -1.993 -18.796 1.00 0.00 H new ATOM 527 N SER A 38 9.925 -2.340 -23.481 1.00 0.00 N ATOM 528 CA SER A 38 8.879 -2.573 -24.496 1.00 0.00 C ATOM 529 C SER A 38 8.623 -4.102 -24.655 1.00 0.00 C ATOM 530 O SER A 38 9.421 -4.887 -24.146 1.00 0.00 O ATOM 531 CB SER A 38 9.352 -1.893 -25.796 1.00 0.00 C ATOM 532 OG SER A 38 9.638 -0.520 -25.578 1.00 0.00 O ATOM 0 H SER A 38 10.871 -2.369 -23.862 1.00 0.00 H new ATOM 0 HA SER A 38 7.920 -2.143 -24.206 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.242 -2.398 -26.172 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.583 -1.991 -26.562 1.00 0.00 H new ATOM 0 HG SER A 38 10.605 -0.399 -25.477 1.00 0.00 H new ATOM 538 N PRO A 39 7.491 -4.564 -25.321 1.00 0.00 N ATOM 539 CA PRO A 39 7.124 -6.014 -25.405 1.00 0.00 C ATOM 540 C PRO A 39 8.263 -6.934 -25.909 1.00 0.00 C ATOM 541 O PRO A 39 8.597 -7.929 -25.244 1.00 0.00 O ATOM 542 CB PRO A 39 5.895 -6.036 -26.365 1.00 0.00 C ATOM 543 CG PRO A 39 5.880 -4.684 -27.016 1.00 0.00 C ATOM 544 CD PRO A 39 6.453 -3.738 -25.994 1.00 0.00 C ATOM 0 HA PRO A 39 6.909 -6.416 -24.415 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.989 -6.829 -27.107 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.971 -6.220 -25.817 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.475 -4.682 -27.929 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.867 -4.394 -27.295 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.882 -2.851 -26.460 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.694 -3.393 -25.292 1.00 0.00 H new ATOM 552 N GLU A 40 8.869 -6.588 -27.072 1.00 0.00 N ATOM 553 CA GLU A 40 9.983 -7.382 -27.655 1.00 0.00 C ATOM 554 C GLU A 40 11.269 -7.253 -26.820 1.00 0.00 C ATOM 555 O GLU A 40 12.088 -8.171 -26.805 1.00 0.00 O ATOM 556 CB GLU A 40 10.268 -7.012 -29.144 1.00 0.00 C ATOM 557 CG GLU A 40 10.775 -5.575 -29.426 1.00 0.00 C ATOM 558 CD GLU A 40 9.689 -4.493 -29.302 1.00 0.00 C ATOM 559 OE1 GLU A 40 8.993 -4.208 -30.303 1.00 0.00 O ATOM 560 OE2 GLU A 40 9.513 -3.940 -28.202 1.00 0.00 O ATOM 0 H GLU A 40 8.608 -5.770 -27.623 1.00 0.00 H new ATOM 0 HA GLU A 40 9.656 -8.421 -27.631 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.006 -7.714 -29.533 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.351 -7.166 -29.713 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.584 -5.344 -28.734 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.195 -5.540 -30.431 1.00 0.00 H new ATOM 567 N MET A 41 11.431 -6.115 -26.117 1.00 0.00 N ATOM 568 CA MET A 41 12.582 -5.888 -25.213 1.00 0.00 C ATOM 569 C MET A 41 12.487 -6.803 -23.977 1.00 0.00 C ATOM 570 O MET A 41 13.501 -7.309 -23.500 1.00 0.00 O ATOM 571 CB MET A 41 12.658 -4.399 -24.780 1.00 0.00 C ATOM 572 CG MET A 41 12.843 -3.406 -25.930 1.00 0.00 C ATOM 573 SD MET A 41 12.805 -1.690 -25.356 1.00 0.00 S ATOM 574 CE MET A 41 12.996 -0.776 -26.886 1.00 0.00 C ATOM 0 H MET A 41 10.777 -5.333 -26.157 1.00 0.00 H new ATOM 0 HA MET A 41 13.494 -6.133 -25.757 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.745 -4.144 -24.242 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.485 -4.280 -24.079 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.793 -3.601 -26.428 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.058 -3.558 -26.670 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.989 0.293 -26.674 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.941 -1.047 -27.356 1.00 0.00 H new ATOM 0 HE3 MET A 41 12.174 -1.018 -27.559 1.00 0.00 H new ATOM 584 N ALA A 42 11.246 -7.017 -23.488 1.00 0.00 N ATOM 585 CA ALA A 42 10.940 -7.931 -22.360 1.00 0.00 C ATOM 586 C ALA A 42 11.058 -9.398 -22.805 1.00 0.00 C ATOM 587 O ALA A 42 11.411 -10.284 -22.016 1.00 0.00 O ATOM 588 CB ALA A 42 9.527 -7.652 -21.817 1.00 0.00 C ATOM 0 H ALA A 42 10.419 -6.557 -23.867 1.00 0.00 H new ATOM 0 HA ALA A 42 11.664 -7.752 -21.565 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.315 -8.329 -20.990 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.469 -6.622 -21.466 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.795 -7.807 -22.610 1.00 0.00 H new ATOM 594 N GLU A 43 10.749 -9.619 -24.084 1.00 0.00 N ATOM 595 CA GLU A 43 10.775 -10.939 -24.726 1.00 0.00 C ATOM 596 C GLU A 43 12.233 -11.423 -24.904 1.00 0.00 C ATOM 597 O GLU A 43 12.532 -12.616 -24.757 1.00 0.00 O ATOM 598 CB GLU A 43 10.038 -10.823 -26.084 1.00 0.00 C ATOM 599 CG GLU A 43 9.844 -12.123 -26.874 1.00 0.00 C ATOM 600 CD GLU A 43 9.024 -11.914 -28.163 1.00 0.00 C ATOM 601 OE1 GLU A 43 9.609 -11.510 -29.193 1.00 0.00 O ATOM 602 OE2 GLU A 43 7.790 -12.144 -28.150 1.00 0.00 O ATOM 0 H GLU A 43 10.467 -8.871 -24.718 1.00 0.00 H new ATOM 0 HA GLU A 43 10.271 -11.680 -24.105 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.056 -10.385 -25.902 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.589 -10.122 -26.711 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.819 -12.537 -27.131 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.342 -12.856 -26.243 1.00 0.00 H new ATOM 609 N LYS A 44 13.133 -10.473 -25.205 1.00 0.00 N ATOM 610 CA LYS A 44 14.574 -10.735 -25.330 1.00 0.00 C ATOM 611 C LYS A 44 15.219 -10.887 -23.944 1.00 0.00 C ATOM 612 O LYS A 44 15.919 -11.873 -23.664 1.00 0.00 O ATOM 613 CB LYS A 44 15.270 -9.581 -26.110 1.00 0.00 C ATOM 614 CG LYS A 44 14.872 -9.462 -27.599 1.00 0.00 C ATOM 615 CD LYS A 44 15.231 -10.723 -28.422 1.00 0.00 C ATOM 616 CE LYS A 44 16.740 -11.022 -28.441 1.00 0.00 C ATOM 617 NZ LYS A 44 17.048 -12.275 -29.163 1.00 0.00 N ATOM 0 H LYS A 44 12.880 -9.499 -25.369 1.00 0.00 H new ATOM 0 HA LYS A 44 14.703 -11.666 -25.882 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.042 -8.638 -25.613 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.349 -9.721 -26.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.799 -9.282 -27.670 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.370 -8.596 -28.035 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.702 -11.582 -28.009 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.879 -10.594 -29.446 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.268 -10.193 -28.912 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.108 -11.094 -27.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.075 -12.439 -29.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.566 -13.071 -28.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.720 -12.198 -30.147 1.00 0.00 H new ATOM 631 N GLU A 45 14.975 -9.884 -23.089 1.00 0.00 N ATOM 632 CA GLU A 45 15.609 -9.747 -21.768 1.00 0.00 C ATOM 633 C GLU A 45 14.566 -9.291 -20.745 1.00 0.00 C ATOM 634 O GLU A 45 13.749 -8.421 -21.035 1.00 0.00 O ATOM 635 CB GLU A 45 16.747 -8.688 -21.825 1.00 0.00 C ATOM 636 CG GLU A 45 17.908 -9.011 -22.781 1.00 0.00 C ATOM 637 CD GLU A 45 18.906 -7.853 -22.902 1.00 0.00 C ATOM 638 OE1 GLU A 45 19.789 -7.724 -22.024 1.00 0.00 O ATOM 639 OE2 GLU A 45 18.786 -7.043 -23.847 1.00 0.00 O ATOM 0 H GLU A 45 14.320 -9.131 -23.299 1.00 0.00 H new ATOM 0 HA GLU A 45 16.024 -10.712 -21.478 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.314 -7.731 -22.118 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.151 -8.561 -20.821 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.429 -9.901 -22.427 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.508 -9.247 -23.767 1.00 0.00 H new ATOM 646 N ASP A 46 14.613 -9.857 -19.545 1.00 0.00 N ATOM 647 CA ASP A 46 13.797 -9.387 -18.410 1.00 0.00 C ATOM 648 C ASP A 46 14.348 -8.051 -17.886 1.00 0.00 C ATOM 649 O ASP A 46 15.388 -7.560 -18.366 1.00 0.00 O ATOM 650 CB ASP A 46 13.789 -10.452 -17.293 1.00 0.00 C ATOM 651 CG ASP A 46 13.146 -11.775 -17.739 1.00 0.00 C ATOM 652 OD1 ASP A 46 11.900 -11.866 -17.764 1.00 0.00 O ATOM 653 OD2 ASP A 46 13.885 -12.728 -18.085 1.00 0.00 O ATOM 0 H ASP A 46 15.212 -10.652 -19.322 1.00 0.00 H new ATOM 0 HA ASP A 46 12.771 -9.229 -18.744 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.813 -10.641 -16.970 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.249 -10.063 -16.430 1.00 0.00 H new ATOM 658 N TYR A 47 13.665 -7.458 -16.902 1.00 0.00 N ATOM 659 CA TYR A 47 14.141 -6.226 -16.259 1.00 0.00 C ATOM 660 C TYR A 47 15.062 -6.588 -15.076 1.00 0.00 C ATOM 661 O TYR A 47 14.650 -6.554 -13.911 1.00 0.00 O ATOM 662 CB TYR A 47 12.952 -5.326 -15.824 1.00 0.00 C ATOM 663 CG TYR A 47 13.388 -3.991 -15.190 1.00 0.00 C ATOM 664 CD1 TYR A 47 14.075 -3.030 -15.940 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.133 -3.699 -13.848 1.00 0.00 C ATOM 666 CE1 TYR A 47 14.484 -1.833 -15.371 1.00 0.00 C ATOM 667 CE2 TYR A 47 13.539 -2.507 -13.278 1.00 0.00 C ATOM 668 CZ TYR A 47 14.213 -1.577 -14.040 1.00 0.00 C ATOM 669 OH TYR A 47 14.608 -0.382 -13.468 1.00 0.00 O ATOM 0 H TYR A 47 12.782 -7.809 -16.533 1.00 0.00 H new ATOM 0 HA TYR A 47 14.720 -5.645 -16.976 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.327 -5.119 -16.693 1.00 0.00 H new ATOM 0 HB3 TYR A 47 12.335 -5.873 -15.111 1.00 0.00 H new ATOM 0 HD1 TYR A 47 14.291 -3.224 -16.980 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.606 -4.421 -13.242 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.013 -1.103 -15.966 1.00 0.00 H new ATOM 0 HE2 TYR A 47 13.329 -2.305 -12.238 1.00 0.00 H new ATOM 0 HH TYR A 47 14.338 -0.365 -12.526 1.00 0.00 H new ATOM 679 N ILE A 48 16.313 -6.965 -15.393 1.00 0.00 N ATOM 680 CA ILE A 48 17.307 -7.322 -14.364 1.00 0.00 C ATOM 681 C ILE A 48 17.784 -6.018 -13.681 1.00 0.00 C ATOM 682 O ILE A 48 18.505 -5.211 -14.284 1.00 0.00 O ATOM 683 CB ILE A 48 18.543 -8.156 -14.939 1.00 0.00 C ATOM 684 CG1 ILE A 48 18.111 -9.555 -15.527 1.00 0.00 C ATOM 685 CG2 ILE A 48 19.634 -8.362 -13.865 1.00 0.00 C ATOM 686 CD1 ILE A 48 17.497 -9.528 -16.911 1.00 0.00 C ATOM 0 H ILE A 48 16.660 -7.030 -16.350 1.00 0.00 H new ATOM 0 HA ILE A 48 16.829 -7.983 -13.641 1.00 0.00 H new ATOM 0 HB ILE A 48 18.951 -7.560 -15.755 1.00 0.00 H new ATOM 0 HG12 ILE A 48 18.987 -10.204 -15.551 1.00 0.00 H new ATOM 0 HG13 ILE A 48 17.396 -10.011 -14.842 1.00 0.00 H new ATOM 0 HG21 ILE A 48 20.460 -8.933 -14.290 1.00 0.00 H new ATOM 0 HG22 ILE A 48 19.999 -7.392 -13.527 1.00 0.00 H new ATOM 0 HG23 ILE A 48 19.214 -8.906 -13.019 1.00 0.00 H new ATOM 0 HD11 ILE A 48 17.239 -10.543 -17.214 1.00 0.00 H new ATOM 0 HD12 ILE A 48 16.597 -8.913 -16.898 1.00 0.00 H new ATOM 0 HD13 ILE A 48 18.213 -9.109 -17.618 1.00 0.00 H new ATOM 698 N CYS A 49 17.303 -5.802 -12.432 1.00 0.00 N ATOM 699 CA CYS A 49 17.617 -4.593 -11.647 1.00 0.00 C ATOM 700 C CYS A 49 19.072 -4.647 -11.145 1.00 0.00 C ATOM 701 O CYS A 49 19.655 -5.737 -11.060 1.00 0.00 O ATOM 702 CB CYS A 49 16.617 -4.412 -10.470 1.00 0.00 C ATOM 703 SG CYS A 49 16.848 -5.540 -9.056 1.00 0.00 S ATOM 0 H CYS A 49 16.691 -6.459 -11.947 1.00 0.00 H new ATOM 0 HA CYS A 49 17.512 -3.723 -12.296 1.00 0.00 H new ATOM 0 HB2 CYS A 49 16.691 -3.386 -10.109 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.605 -4.542 -10.854 1.00 0.00 H new ATOM 708 N VAL A 50 19.616 -3.470 -10.779 1.00 0.00 N ATOM 709 CA VAL A 50 21.064 -3.247 -10.567 1.00 0.00 C ATOM 710 C VAL A 50 21.714 -4.255 -9.586 1.00 0.00 C ATOM 711 O VAL A 50 22.809 -4.734 -9.848 1.00 0.00 O ATOM 712 CB VAL A 50 21.353 -1.757 -10.123 1.00 0.00 C ATOM 713 CG1 VAL A 50 20.655 -1.407 -8.783 1.00 0.00 C ATOM 714 CG2 VAL A 50 22.877 -1.459 -10.078 1.00 0.00 C ATOM 0 H VAL A 50 19.055 -2.633 -10.619 1.00 0.00 H new ATOM 0 HA VAL A 50 21.536 -3.424 -11.534 1.00 0.00 H new ATOM 0 HB VAL A 50 20.921 -1.106 -10.883 1.00 0.00 H new ATOM 0 HG11 VAL A 50 20.880 -0.375 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.577 -1.527 -8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 50 21.017 -2.073 -7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 50 23.037 -0.426 -9.769 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.358 -2.129 -9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 50 23.307 -1.612 -11.068 1.00 0.00 H new ATOM 724 N ARG A 51 21.013 -4.616 -8.492 1.00 0.00 N ATOM 725 CA ARG A 51 21.556 -5.551 -7.466 1.00 0.00 C ATOM 726 C ARG A 51 21.638 -6.997 -8.006 1.00 0.00 C ATOM 727 O ARG A 51 22.519 -7.761 -7.610 1.00 0.00 O ATOM 728 CB ARG A 51 20.715 -5.490 -6.167 1.00 0.00 C ATOM 729 CG ARG A 51 20.697 -4.097 -5.505 1.00 0.00 C ATOM 730 CD ARG A 51 19.862 -4.057 -4.214 1.00 0.00 C ATOM 731 NE ARG A 51 19.823 -2.711 -3.613 1.00 0.00 N ATOM 732 CZ ARG A 51 19.260 -2.398 -2.436 1.00 0.00 C ATOM 733 NH1 ARG A 51 18.679 -3.323 -1.682 1.00 0.00 N ATOM 734 NH2 ARG A 51 19.289 -1.150 -2.013 1.00 0.00 N ATOM 0 H ARG A 51 20.072 -4.279 -8.290 1.00 0.00 H new ATOM 0 HA ARG A 51 22.571 -5.232 -7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.691 -5.788 -6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 51 21.109 -6.216 -5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 51 21.720 -3.795 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 51 20.298 -3.370 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 51 18.845 -4.385 -4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 51 20.277 -4.762 -3.494 1.00 0.00 H new ATOM 0 HE ARG A 51 20.261 -1.953 -4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 51 18.655 -4.294 -1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 51 18.257 -3.063 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.737 -0.430 -2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.863 -0.904 -1.119 1.00 0.00 H new ATOM 748 N CYS A 52 20.715 -7.347 -8.924 1.00 0.00 N ATOM 749 CA CYS A 52 20.742 -8.642 -9.650 1.00 0.00 C ATOM 750 C CYS A 52 21.842 -8.645 -10.738 1.00 0.00 C ATOM 751 O CYS A 52 22.337 -9.708 -11.126 1.00 0.00 O ATOM 752 CB CYS A 52 19.371 -8.953 -10.302 1.00 0.00 C ATOM 753 SG CYS A 52 18.007 -9.233 -9.136 1.00 0.00 S ATOM 0 H CYS A 52 19.932 -6.747 -9.185 1.00 0.00 H new ATOM 0 HA CYS A 52 20.964 -9.416 -8.916 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.103 -8.125 -10.958 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.478 -9.837 -10.931 1.00 0.00 H new ATOM 758 N THR A 53 22.196 -7.451 -11.241 1.00 0.00 N ATOM 759 CA THR A 53 23.193 -7.294 -12.318 1.00 0.00 C ATOM 760 C THR A 53 24.631 -7.335 -11.748 1.00 0.00 C ATOM 761 O THR A 53 25.544 -7.906 -12.357 1.00 0.00 O ATOM 762 CB THR A 53 22.963 -5.955 -13.090 1.00 0.00 C ATOM 763 OG1 THR A 53 21.562 -5.808 -13.377 1.00 0.00 O ATOM 764 CG2 THR A 53 23.768 -5.888 -14.407 1.00 0.00 C ATOM 0 H THR A 53 21.802 -6.569 -10.915 1.00 0.00 H new ATOM 0 HA THR A 53 23.070 -8.126 -13.012 1.00 0.00 H new ATOM 0 HB THR A 53 23.313 -5.143 -12.453 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.073 -5.641 -12.544 1.00 0.00 H new ATOM 0 HG21 THR A 53 23.573 -4.938 -14.905 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.832 -5.971 -14.187 1.00 0.00 H new ATOM 0 HG23 THR A 53 23.467 -6.708 -15.059 1.00 0.00 H new ATOM 772 N VAL A 54 24.808 -6.711 -10.572 1.00 0.00 N ATOM 773 CA VAL A 54 26.082 -6.698 -9.827 1.00 0.00 C ATOM 774 C VAL A 54 26.284 -8.049 -9.119 1.00 0.00 C ATOM 775 O VAL A 54 27.419 -8.515 -8.948 1.00 0.00 O ATOM 776 CB VAL A 54 26.118 -5.515 -8.778 1.00 0.00 C ATOM 777 CG1 VAL A 54 27.435 -5.506 -7.957 1.00 0.00 C ATOM 778 CG2 VAL A 54 25.908 -4.149 -9.483 1.00 0.00 C ATOM 0 H VAL A 54 24.063 -6.195 -10.105 1.00 0.00 H new ATOM 0 HA VAL A 54 26.895 -6.539 -10.536 1.00 0.00 H new ATOM 0 HB VAL A 54 25.298 -5.679 -8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 54 27.417 -4.677 -7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.531 -6.446 -7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 54 28.283 -5.389 -8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 54 25.936 -3.349 -8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.699 -3.993 -10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.941 -4.144 -9.986 1.00 0.00 H new ATOM 788 N LYS A 55 25.160 -8.679 -8.703 1.00 0.00 N ATOM 789 CA LYS A 55 25.175 -9.990 -8.028 1.00 0.00 C ATOM 790 C LYS A 55 24.083 -10.906 -8.606 1.00 0.00 C ATOM 791 O LYS A 55 22.945 -10.902 -8.121 1.00 0.00 O ATOM 792 CB LYS A 55 24.971 -9.843 -6.488 1.00 0.00 C ATOM 793 CG LYS A 55 25.829 -8.754 -5.820 1.00 0.00 C ATOM 794 CD LYS A 55 25.792 -8.804 -4.273 1.00 0.00 C ATOM 795 CE LYS A 55 26.605 -9.980 -3.702 1.00 0.00 C ATOM 796 NZ LYS A 55 28.045 -9.880 -4.069 1.00 0.00 N ATOM 0 H LYS A 55 24.224 -8.292 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 55 26.154 -10.436 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.920 -9.626 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 55 25.191 -10.800 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 55 26.861 -8.859 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 55 25.484 -7.775 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 55 26.182 -7.868 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 55 24.757 -8.886 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.506 -9.999 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.198 -10.920 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 28.607 -10.488 -3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 28.174 -10.188 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 28.361 -8.894 -3.970 1.00 0.00 H new ATOM 810 N ASP A 56 24.409 -11.639 -9.680 1.00 0.00 N ATOM 811 CA ASP A 56 23.564 -12.761 -10.162 1.00 0.00 C ATOM 812 C ASP A 56 24.047 -14.065 -9.512 1.00 0.00 C ATOM 813 O ASP A 56 23.291 -15.037 -9.394 1.00 0.00 O ATOM 814 CB ASP A 56 23.579 -12.885 -11.719 1.00 0.00 C ATOM 815 CG ASP A 56 24.925 -13.365 -12.308 1.00 0.00 C ATOM 816 OD1 ASP A 56 25.833 -12.532 -12.480 1.00 0.00 O ATOM 817 OD2 ASP A 56 25.072 -14.576 -12.602 1.00 0.00 O ATOM 0 H ASP A 56 25.249 -11.482 -10.237 1.00 0.00 H new ATOM 0 HA ASP A 56 22.532 -12.561 -9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 56 22.795 -13.578 -12.024 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.332 -11.915 -12.151 1.00 0.00 H new ATOM 822 N ALA A 57 25.327 -14.060 -9.091 1.00 0.00 N ATOM 823 CA ALA A 57 25.982 -15.201 -8.447 1.00 0.00 C ATOM 824 C ALA A 57 26.776 -14.704 -7.224 1.00 0.00 C ATOM 825 O ALA A 57 27.951 -14.333 -7.357 1.00 0.00 O ATOM 826 CB ALA A 57 26.883 -15.955 -9.440 1.00 0.00 C ATOM 0 H ALA A 57 25.938 -13.249 -9.193 1.00 0.00 H new ATOM 0 HA ALA A 57 25.225 -15.909 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.356 -16.797 -8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 57 26.281 -16.322 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 57 27.651 -15.281 -9.819 1.00 0.00 H new ATOM 832 N PRO A 58 26.118 -14.630 -6.016 1.00 0.00 N ATOM 833 CA PRO A 58 26.790 -14.233 -4.749 1.00 0.00 C ATOM 834 C PRO A 58 27.840 -15.274 -4.300 1.00 0.00 C ATOM 835 O PRO A 58 28.779 -14.948 -3.568 1.00 0.00 O ATOM 836 CB PRO A 58 25.616 -14.112 -3.740 1.00 0.00 C ATOM 837 CG PRO A 58 24.541 -14.991 -4.295 1.00 0.00 C ATOM 838 CD PRO A 58 24.671 -14.900 -5.797 1.00 0.00 C ATOM 0 HA PRO A 58 27.357 -13.307 -4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 58 25.916 -14.436 -2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 58 25.276 -13.080 -3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 58 24.661 -16.019 -3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 58 23.556 -14.659 -3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 58 24.360 -15.825 -6.282 1.00 0.00 H new ATOM 0 HD3 PRO A 58 24.050 -14.102 -6.204 1.00 0.00 H new ATOM 846 N SER A 59 27.669 -16.520 -4.761 1.00 0.00 N ATOM 847 CA SER A 59 28.610 -17.613 -4.513 1.00 0.00 C ATOM 848 C SER A 59 28.801 -18.397 -5.821 1.00 0.00 C ATOM 849 O SER A 59 27.915 -19.148 -6.239 1.00 0.00 O ATOM 850 CB SER A 59 28.084 -18.523 -3.374 1.00 0.00 C ATOM 851 OG SER A 59 29.050 -19.489 -2.977 1.00 0.00 O ATOM 0 H SER A 59 26.864 -16.797 -5.322 1.00 0.00 H new ATOM 0 HA SER A 59 29.574 -17.219 -4.192 1.00 0.00 H new ATOM 0 HB2 SER A 59 27.811 -17.909 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 59 27.178 -19.031 -3.704 1.00 0.00 H new ATOM 0 HG SER A 59 28.682 -20.042 -2.256 1.00 0.00 H new ATOM 857 N ARG A 60 29.952 -18.187 -6.475 1.00 0.00 N ATOM 858 CA ARG A 60 30.260 -18.804 -7.772 1.00 0.00 C ATOM 859 C ARG A 60 30.616 -20.297 -7.588 1.00 0.00 C ATOM 860 O ARG A 60 31.702 -20.635 -7.103 1.00 0.00 O ATOM 861 CB ARG A 60 31.421 -18.032 -8.459 1.00 0.00 C ATOM 862 CG ARG A 60 31.767 -18.515 -9.884 1.00 0.00 C ATOM 863 CD ARG A 60 30.592 -18.368 -10.864 1.00 0.00 C ATOM 864 NE ARG A 60 30.926 -18.872 -12.210 1.00 0.00 N ATOM 865 CZ ARG A 60 30.653 -18.248 -13.367 1.00 0.00 C ATOM 866 NH1 ARG A 60 30.099 -17.035 -13.374 1.00 0.00 N ATOM 867 NH2 ARG A 60 30.955 -18.831 -14.513 1.00 0.00 N ATOM 0 H ARG A 60 30.695 -17.585 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 60 29.381 -18.748 -8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.160 -16.975 -8.503 1.00 0.00 H new ATOM 0 HB3 ARG A 60 32.312 -18.115 -7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 60 32.619 -17.948 -10.258 1.00 0.00 H new ATOM 0 HG3 ARG A 60 32.073 -19.561 -9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 60 29.729 -18.910 -10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 60 30.305 -17.318 -10.931 1.00 0.00 H new ATOM 0 HE ARG A 60 31.405 -19.771 -12.266 1.00 0.00 H new ATOM 0 HH11 ARG A 60 29.878 -16.570 -12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 60 29.897 -16.572 -14.260 1.00 0.00 H new ATOM 0 HH21 ARG A 60 31.394 -19.752 -14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 60 30.749 -18.361 -15.394 1.00 0.00 H new ATOM 881 N LYS A 61 29.666 -21.174 -7.955 1.00 0.00 N ATOM 882 CA LYS A 61 29.827 -22.642 -7.887 1.00 0.00 C ATOM 883 C LYS A 61 29.718 -23.261 -9.311 1.00 0.00 C ATOM 884 O LYS A 61 28.971 -22.714 -10.157 1.00 0.00 O ATOM 885 CB LYS A 61 28.775 -23.265 -6.920 1.00 0.00 C ATOM 886 CG LYS A 61 27.306 -23.045 -7.335 1.00 0.00 C ATOM 887 CD LYS A 61 26.293 -23.786 -6.433 1.00 0.00 C ATOM 888 CE LYS A 61 24.861 -23.699 -6.989 1.00 0.00 C ATOM 889 NZ LYS A 61 24.419 -22.288 -7.174 1.00 0.00 N ATOM 890 OXT LYS A 61 30.381 -24.285 -9.573 1.00 0.00 O ATOM 0 H LYS A 61 28.755 -20.884 -8.311 1.00 0.00 H new ATOM 0 HA LYS A 61 30.817 -22.869 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.960 -24.337 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 61 28.924 -22.846 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.087 -21.978 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 61 27.174 -23.377 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 61 26.585 -24.832 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 61 26.320 -23.360 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 61 24.810 -24.223 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 61 24.177 -24.207 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.417 -22.272 -7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.539 -21.767 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 24.992 -21.839 -7.917 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 5.664 2.130 -11.370 1.00 0.00 ZN HETATM 906 ZN ZN A 102 16.171 -7.778 -9.318 1.00 0.00 ZN